Molecule FYI-1002875

A

Molecule Summary:

ID: FYI-1002875
Names:
InChIKey: ICDSIUVYLWJHJY-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c3cc(C(=O)NCc1ccccc1)c(S(=O)(=O)C2CCCCC2)cc3Cl

Received at FYIcenter.com on: 2023-04-25

Molecule ID: FYI-1002875 Edit

Molecule Structure InChIKey: ICDSIUVYLWJHJY-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c3cc(C(=O)NCc1ccccc1)c(S(=O)(=O)C2CCCCC2)cc3Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1002875
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.1124    6.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1124    8.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    9.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6876    8.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6876    6.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.8497    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.4497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    7.2746    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   11.9000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.4497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    6.2497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 10 11  2  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 11 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 25 30  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002875-3D
FYIcenter.com

 53 55  0     0  0  0  0  0  0999 V2000
    4.7394   -2.0288    0.6090 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4712   -0.9624    1.4971 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1565    0.9274   -0.6328 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2470   -2.0191    2.4640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2222    0.2236    1.8587 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0564    2.5954    1.1972 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1729    2.3802   -0.5711 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2005    0.1591    0.0264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5961    1.7713   -0.9020 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0617    0.4420   -2.2671 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2358   -1.6969    0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3701   -2.8327   -0.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6450   -2.1807    0.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -3.5212   -1.6587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3056   -2.8695   -0.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4408   -4.0024   -1.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0990   -0.4231    0.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2711    0.8533    0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1802   -1.3016    0.9663 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    1.2511   -0.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4336   -0.9039    0.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6057    0.3725   -0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1658    1.7983    0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7844    1.2993   -1.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4355    2.3374    0.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9908    0.7651   -1.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4195    1.0170    0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3151   -0.9100   -0.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3626    1.0930   -1.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9523    1.1760   -2.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6539   -0.3419   -2.5673 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8424    2.9507    1.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5949    0.1508   -1.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.3580    0.5999    0.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  2  0  0  0  0
  3 10  1  0  0  0  0
  3 22  1  0  0  0  0
  6 23  2  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 44  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
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 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
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 15 39  1  0  0  0  0
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 19 21  1  0  0  0  0
 19 42  1  0  0  0  0
 20 22  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  2  0  0  0  0
 24 25  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 49  1  0  0  0  0
 27 29  2  0  0  0  0
 27 50  1  0  0  0  0
 28 30  2  0  0  0  0
 28 51  1  0  0  0  0
 29 30  1  0  0  0  0
 29 52  1  0  0  0  0
 30 53  1  0  0  0  0
M  END
$$$$

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2023-05-09, 2628👍, 0💬